Vitas-M small molecule compound

2-[(4-chloro-2-methylphenoxy)acetyl]-N-(prop-2-en-1-yl)hydrazinecarbothioamide

Catalog ID
STK413998
SMILES C=CCNC(=S)NNC(=O)COc1ccc(cc1C)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C13H16ClN3O2S MW 313.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16ClN3O2S/c1-3-6-15-13(20)17-16-12(18)8-19-11-5-4-10(14)7-9(11)2/h3-5,7H,1,6,8H2,2H3,(H,16,18)(H2,15,17,20)
InChIKey
VCKXSQSHFGBCJJ-UHFFFAOYSA-N
Synonyms

1((2(4CHLORO2METHYLPHENOXY)ACETYL)AMINO)3PROP2ENYLTHIOUREA
2((4chloro2methylphenoxy)acetyl)N(prop2en1yl)hydrazinecarbothioamide
2(4CHLORO2METHYLPHENOXY)N(((PROP2ENYLAMINO)THIOXOMETHYL)AMINO)ACETAMIDE
CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=S)NCC=C
InChI=1SC13H16ClN3O2Sc1361513(20)171612(18)819115410(14)79(11)2h357H168H22H3(H1618)(H2151720)
MFCD02241620
Nallyl2(2(4chloro2methylphenoxy)acetyl)hydrazinecarbothioamide
ZINC000002299074
ZINC02299074
ZINC2299074

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.